Dichloromethane → 1-[6-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

HRID 98679Notes

Reaction equation

[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[cH:10][c:11]([C:34]([F:35])([F:36])[F:37])[n:12][n:13]2-[c:14]2[cH:15][cH:16][cH:17][c:18]([CH2:20][NH:21][C:22]([CH:23]([CH3:24])[NH:25][C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[n:19]2)[cH:38][cH:39][cH:40][cH:41]1.[Cl:49][CH2:50][Cl:51].[OH:42][C:43]([C:44]([F:45])([F:46])[F:47])=[O:48]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[cH:10][c:11]([C:34]([F:35])([F:36])[F:37])[n:12][n:13]2-[c:14]2[cH:15][cH:16][cH:17][c:18]([CH2:20][NH:21][C:22]([CH:23]([CH3:24])[NH2:25])=[O:33])[n:19]2)[cH:38][cH:39][cH:40][cH:41]1

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 69300916tert-butyl N-[1-[[6-[5-[(2-methoxyphenyl)methylcarbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate

Product 1

HCID 252164181-[6-[(2-aminopropanoylamino)methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

Sources & evidence

ORD record: ord-ddb1f6b3413a49908b6c84a171558730
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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